N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide

C31H32N4O3 — CID 154054851

IUPACN-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(O)c(-c3cc(C4CCCC4)n(C(=O)NCc4ccccc4)n3)c2)cc1
InChIInChI=1S/C31H32N4O3/c1-2-21-12-14-24(15-13-21)30(37)33-25-16-17-29(36)26(18-25)27-19-28(23-10-6-7-11-23)35(34-27)31(38)32-20-22-8-4-3-5-9-22/h3-5,8-9,12-19,23,36H,2,6-7,10-11,20H2,1H3,(H,32,38)(H,33,37)
InChIKeyPMZXLNAKARJAPQ-UHFFFAOYSA-N
MW508.62 g/mol
LogP6.49
Rot. Bonds7

About N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide

N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide (PubChem CID 154054851) has the molecular formula C31H32N4O3 and a molecular weight of 508.62 g/mol. Its IUPAC name is N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
PubChem CID154054851
Molecular FormulaC31H32N4O3
Molecular Weight508.62 g/mol
Exact Mass508.25
IUPAC NameN-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(O)c(-c3cc(C4CCCC4)n(C(=O)NCc4ccccc4)n3)c2)cc1
InChIInChI=1S/C31H32N4O3/c1-2-21-12-14-24(15-13-21)30(37)33-25-16-17-29(36)26(18-25)27-19-28(23-10-6-7-11-23)35(34-27)31(38)32-20-22-8-4-3-5-9-22/h3-5,8-9,12-19,23,36H,2,6-7,10-11,20H2,1H3,(H,32,38)(H,33,37)
InChIKeyPMZXLNAKARJAPQ-UHFFFAOYSA-N
XLogP6.49
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 56.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-cyclopentyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055837
5-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-propylpyrazole-1-carboxamide
CID 154054872
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055018
5-cyclobutyl-N-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054854
5-cyclobutyl-N-[(3,4-dichlorophenyl)methyl]-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055851
N-benzyl-3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154055185
N-[3-[5-cyclobutyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide
CID 154054461
N-[3-[1-(benzylcarbamoyl)-5-cyclobutylpyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154054301
3-[5-[(4-tert-butylbenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(3,4-dichlorophenyl)methyl]pyrazole-1-carboxamide
CID 154054937
5-cyclopropyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154055856
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055045
3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154054774

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide?
The IUPAC name of N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide (CID 154054851) is N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide.
What is the SMILES notation for N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide?
The canonical SMILES for N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide is CCc1ccc(C(=O)Nc2ccc(O)c(-c3cc(C4CCCC4)n(C(=O)NCc4ccccc4)n3)c2)cc1.
What is the InChIKey of N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide?
The InChIKey is PMZXLNAKARJAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O3/c1-2-21-12-14-24(15-13-21)30(37)33-25-16-17-29(36)26(18-25)27-19-28(23-10-6-7-11-23)35(34-27)31(38)32-20-22-8-4-3-5-9-22/h3-5,8-9,12-19,23,36H,2,6-7,10-11,20H2,1H3,(H,32,38)(H,33,37).
What are the key properties of N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide?
N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide has a molecular weight of 508.62 g/mol, XLogP of 6.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154054851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).